Qi Ou

Publication Activity (10 Years)

Years Active: 2018-2022
Publications (10 Years): 10

Top Topics

Density Functional Theory

Energy Transfer

Machine Learning

Top Venues

The journal of physical chemistry letters

Nature communications

The journal of physical chemistry. A

Journal of the American Chemical Society

This page only lists publications with an associated author ORCID identifier.

Publications

Wenfei Li, Qi Ou, Yixiao Chen, Yu Cao, Renxi Liu, Chunyi Zhang, Daye Zheng, Chun Cai, Xifan Wu, Han Wang, Mohan Chen, Linfeng Zhang
DeePKS + ABACUS as a Bridge between Expensive Quantum Mechanical Models and Machine Learning Potentials. The journal of physical chemistry. A (2022)
Yifan Yao, Qi Ou, Kuidong Wang, Haijun Peng, Feier Fang, Yumeng Shi, Ye Wang, Daniel Iglesias Asperilla, Zhigang Shuai, Paolo Samorì
Supramolecular engineering of charge transfer in wide bandgap organic semiconductors with enhanced visible-to-NIR photoresponse. Nature communications 12 (1) (2021)
Shiyun Lin, Qi Ou, Yu Wang, Qian Peng, Zhigang Shuai
Aggregation-Enhanced Thermally Activated Delayed Fluorescence Efficiency for Two-Coordinate Carbene-Metal-Amide Complexes: A QM/MM Study. The journal of physical chemistry letters 12 (11) (2021)
Meihui Liu, Yuling Wei, Qi Ou, Peiyi Yu, Guo Wang, Yuai Duan, Hua Geng, Qian Peng, Zhigang Shuai, Yi Liao
Molecular Design Strategy for Simultaneously Strong Luminescence and High Mobility: Multichannel CH-π Interaction. The journal of physical chemistry letters 12 (2) (2021)
Zheng Pei, Qi Ou, Yuezhi Mao, Junjie Yang, Aurélien de la Lande, Felix Plasser, WanZhen Liang, Zhigang Shuai, Yihan Shao
Elucidating the Electronic Structure of a Delayed Fluorescence Emitter via Orbital Interactions, Excitation Energy Components, Charge-Transfer Numbers, and Vibrational Reorganization Energies. The journal of physical chemistry letters 12 (11) (2021)
Lu Wang, Qi Ou, Qian Peng, Zhigang Shuai
Theoretical Characterizations of TADF Materials: Roles of ΔG and the Singlet-Triplet Excited States Interconversion. The journal of physical chemistry. A 125 (7) (2021)
Qi Ou, Yihan Shao, Zhigang Shuai
Enhanced Reverse Intersystem Crossing Promoted by Triplet Exciton-Photon Coupling. Journal of the American Chemical Society 143 (42) (2021)
Qi Ou, Qian Peng, Zhigang Shuai
Toward Quantitative Prediction of Fluorescence Quantum Efficiency by Combining Direct Vibrational Conversion and Surface Crossing: BODIPYs as an Example. The journal of physical chemistry letters 11 (18) (2020)
Qi Ou, Qian Peng, Zhigang Shuai
Computational screen-out strategy for electrically pumped organic laser materials. Nature communications 11 (1) (2020)
Qi Ou, Joseph E Subotnik
Comparison between the Bethe-Salpeter Equation and Configuration Interaction Approaches for Solving a Quantum Chemistry Problem: Calculating the Excitation Energy for Finite 1D Hubbard Chains. Journal of chemical theory and computation 14 (2) (2018)